MolNFT v1 · #66515 · protein
Crystal structure of aspartate semialdehyde dehydrogenase with NADP from candida albicans
3HSK · Aspartate-semialdehyde dehydrogenase: “Crystal structure of aspartate semialdehyde dehydrogenase with NADP from candida albicans”. X-ray diffraction, 1 ligand (NAP), 5 pockets (best druggability 0.66). MolNFT v1 #66515 on GenesisL1…
- PDB
- 3HSK
- Type
- protein
- Length
- 716 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate-semialdehyde dehydrogenase
- EC
- 1.2.1.11
- UniProt
- Q5ALM0
- Ligands
- NAP
- Pockets
- 5 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) | protein | 358 | 33% helix, 23% strand | Q5ALM0 |
| B | Aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) | protein | 358 | 34% helix, 23% strand | Q5ALM0 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 553 | 0.66 | 0.77 | 60 | empty |
| 2 | 404 | 0.61 | 0.77 | 33 | empty |
| 3 | 152 | 0.43 | 0.75 | 21 | empty |
| 4 | 80 | 0.39 | 0.77 | 18 | empty |
| 5 | 52 | 0.29 | 0.75 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1922 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 3HSK · Crystal Structure of Aspartate Semialdehyde Dehydrogenase with NADP from Candida albicans · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q5ALM0
- Elsewhere: RCSB PDB 3HSK · PDBe 3HSK · UniProt Q5ALM0
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